Pub Date : 2023-12-12DOI: 10.1080/07391102.2023.2292294
S. Suwendar, I. Jantan, T. M. Fakih, S. E. Priani, D. Mulyanti, V. M. Patricia, D. S. F. Ramadhan, A. D. Rizkita
This research is part of the research umbrella regarding the use of watery rose apple leaf [Eugenia aqueum (Burm. F) Alston] in the health sector. Infectious diseases of worms, are still a health p...
{"title":"Structural basis for the recognition of anthelmintic activity of bioactive metabolite in watery rose apple leaf through in silico investigation","authors":"S. Suwendar, I. Jantan, T. M. Fakih, S. E. Priani, D. Mulyanti, V. M. Patricia, D. S. F. Ramadhan, A. D. Rizkita","doi":"10.1080/07391102.2023.2292294","DOIUrl":"https://doi.org/10.1080/07391102.2023.2292294","url":null,"abstract":"This research is part of the research umbrella regarding the use of watery rose apple leaf [Eugenia aqueum (Burm. F) Alston] in the health sector. Infectious diseases of worms, are still a health p...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"24 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138629366","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-12DOI: 10.1080/07391102.2023.2293260
Ghulam Mustafa, Sabreena Sabir, Sajjad Hussain Sumrra, Wardha Zafar, Muhammad Nadeem Arshad, Abrar Ul Hassan, Arusa Akhtar, Muhammad Ashfaq, Maryam Ashfaq, Abdullah Mohamed Asiri
Deoxyribonucleic acid (DNA) acts as the most important intracellular target for various drugs. Exploring the DNA binding interactions of small bioactive molecules offers a structural guideline for ...
脱氧核糖核酸（DNA）是各种药物最重要的细胞内靶点。探索生物活性小分子与 DNA 的结合相互作用，可为 ...
{"title":"Synthesis, structure elucidation, SC-XRD/DFT, molecular modelling simulations and DNA binding studies of 3,5-diphenyl-4,5-dihydro-1H-pyrazole chalcones","authors":"Ghulam Mustafa, Sabreena Sabir, Sajjad Hussain Sumrra, Wardha Zafar, Muhammad Nadeem Arshad, Abrar Ul Hassan, Arusa Akhtar, Muhammad Ashfaq, Maryam Ashfaq, Abdullah Mohamed Asiri","doi":"10.1080/07391102.2023.2293260","DOIUrl":"https://doi.org/10.1080/07391102.2023.2293260","url":null,"abstract":"Deoxyribonucleic acid (DNA) acts as the most important intracellular target for various drugs. Exploring the DNA binding interactions of small bioactive molecules offers a structural guideline for ...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138680693","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-12DOI: 10.1080/07391102.2023.2292794
Prabhu Chandra Mishra, Amer M. Alanazi, Siva Prasad Panda, Aftab Alam, Amit Dubey, Saurabh Kumar Jha, Mohammad Amjad Kamal
The emergence of the Zika virus, which belongs to the Flaviviridae family, became a significant worldwide health issue due to its link with severe neurological complications. The RNA-dependent RNA ...
{"title":"Computational exploration of Zika virus RNA-dependent RNA polymerase inhibitors: a promising antiviral drug discovery approach","authors":"Prabhu Chandra Mishra, Amer M. Alanazi, Siva Prasad Panda, Aftab Alam, Amit Dubey, Saurabh Kumar Jha, Mohammad Amjad Kamal","doi":"10.1080/07391102.2023.2292794","DOIUrl":"https://doi.org/10.1080/07391102.2023.2292794","url":null,"abstract":"The emergence of the Zika virus, which belongs to the Flaviviridae family, became a significant worldwide health issue due to its link with severe neurological complications. The RNA-dependent RNA ...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138629363","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This study examines the nutritional composition, phytochemical profiling, and antioxidant, antidiabetic, and anti-inflammatory potential of a methanolic extract of Spilanthes filicaulis leaves (MES...
{"title":"Profiling the antidiabetic potential of GC–MS compounds identified from the methanolic extract of Spilanthes filicaulis: experimental and computational insight","authors":"Oluwafemi Adeleke Ojo, Akingbolabo Daniel Ogunlakin, Gideon Ampoma Gyebi, Damilare IyinKristi Ayokunle, Adeshina Isaiah Odugbemi, Dare Ezekiel Babatunde, Emmanuel Adewuni Akintunde, Samson Chukwuemeka Ezea, Nnaemeka Tobechukwu Asogwa, Rotdelmwa Maimako Asaleye, Adebola Busola Ojo","doi":"10.1080/07391102.2023.2291828","DOIUrl":"https://doi.org/10.1080/07391102.2023.2291828","url":null,"abstract":"This study examines the nutritional composition, phytochemical profiling, and antioxidant, antidiabetic, and anti-inflammatory potential of a methanolic extract of Spilanthes filicaulis leaves (MES...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"51 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138680558","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Discovery of intrinsically disordered proteins (IDPs) and protein hybrids that contain both intrinsically disordered protein regions (IDPRs) along with ordered regions has changed the sequence–stru...
{"title":"IDPpred: a new sequence-based predictor for identification of intrinsically disordered protein with enhanced accuracy","authors":"Deepak Chaurasiya, Rajkrishna Mondal, Tapobrata Lahiri, Asmita Tripathi, Tejas Ghinmine","doi":"10.1080/07391102.2023.2290615","DOIUrl":"https://doi.org/10.1080/07391102.2023.2290615","url":null,"abstract":"Discovery of intrinsically disordered proteins (IDPs) and protein hybrids that contain both intrinsically disordered protein regions (IDPRs) along with ordered regions has changed the sequence–stru...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"166 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138629089","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-11DOI: 10.1080/07391102.2023.2291540
Kiran Negi, Suvarcha Chauhan
Physicochemical properties of a surfactant cetyl pyridinium bromide (CPB) (0.2–2 mmol kg−1) has been investigated by the addition of greener additives, that is, aqueous tetraalkylammonium bromide (...
{"title":"Unveiling the molecular interactions and antimicrobial activity of cetyl pyridinium bromide in ternary systems with short tetraalkylammonium bromide salts","authors":"Kiran Negi, Suvarcha Chauhan","doi":"10.1080/07391102.2023.2291540","DOIUrl":"https://doi.org/10.1080/07391102.2023.2291540","url":null,"abstract":"Physicochemical properties of a surfactant cetyl pyridinium bromide (CPB) (0.2–2 mmol kg−1) has been investigated by the addition of greener additives, that is, aqueous tetraalkylammonium bromide (...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"2 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138680570","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-11DOI: 10.1080/07391102.2023.2291826
Rajubai D. Bakale, Pramod S. Phatak, Sanket S. Rathod, Prafulla B. Choudhari, Estharla Madhu Rekha, Dharmarajan Sriram, Ravibhushan S. Kulkarni, Kishan P. Haval
In the present study, we have reported the synthesis of novel isoniazid-triazole derivatives (4a-r), via the click chemistry approach. The synthesized isoniazid-triazole derivatives have potent in ...
{"title":"In vitro and in silico exploration of newly synthesized triazolyl- isonicotinohydrazides as potent antitubercular agents","authors":"Rajubai D. Bakale, Pramod S. Phatak, Sanket S. Rathod, Prafulla B. Choudhari, Estharla Madhu Rekha, Dharmarajan Sriram, Ravibhushan S. Kulkarni, Kishan P. Haval","doi":"10.1080/07391102.2023.2291826","DOIUrl":"https://doi.org/10.1080/07391102.2023.2291826","url":null,"abstract":"In the present study, we have reported the synthesis of novel isoniazid-triazole derivatives (4a-r), via the click chemistry approach. The synthesized isoniazid-triazole derivatives have potent in ...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"30 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138629086","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Monkeypox is a communicable disease similar to smallpox, primarily occurring in African countries. However, recently it has spread to countries outside Africa and may arise as the next threat after...
{"title":"Phytocompounds from Phyllanthus acidus (L.) Skeels in the management of Monkeypox Virus infections","authors":"Sutapa Datta, Indrani Sarkar, Nabajyoti Goswami, Saurov Mahanta, Probodh Borah, Arnab Sen","doi":"10.1080/07391102.2023.2291166","DOIUrl":"https://doi.org/10.1080/07391102.2023.2291166","url":null,"abstract":"Monkeypox is a communicable disease similar to smallpox, primarily occurring in African countries. However, recently it has spread to countries outside Africa and may arise as the next threat after...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"70 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138680684","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-11DOI: 10.1080/07391102.2023.2291158
Lalita Dahiya, Rajiv Kumar, Anurag T. K. Baidya, Sunil Kumar, Rajnish Kumar, Sandip V. Pawar, Ashok Kumar Yadav
Diabetes mellitus is considered as one of the principal global health urgencies of the twenty first century. In the present investigation, novel N-substituted 2,4-thiazolidinedione derivatives were...
糖尿病被认为是21世纪全球最紧迫的健康问题之一。本文研究了新型n取代2,4-噻唑烷二酮衍生物。
{"title":"Design, synthesis, biological evaluations and in silico studies of N-substituted 2,4-thiazolidinedione derivatives as potential a-glucosidase inhibitors","authors":"Lalita Dahiya, Rajiv Kumar, Anurag T. K. Baidya, Sunil Kumar, Rajnish Kumar, Sandip V. Pawar, Ashok Kumar Yadav","doi":"10.1080/07391102.2023.2291158","DOIUrl":"https://doi.org/10.1080/07391102.2023.2291158","url":null,"abstract":"Diabetes mellitus is considered as one of the principal global health urgencies of the twenty first century. In the present investigation, novel N-substituted 2,4-thiazolidinedione derivatives were...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"22 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138629085","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-11DOI: 10.1080/07391102.2023.2291833
Zeeshan Hyderi, Hemavathy Nagarajan, S. Jaya Priya, Jeyaraman Jeyakanthan, Arumugam Veera Ravi
Enterococcus gallinarum and other Enterococcus species commonly inhabit the human gastrointestinal tract. While the pathogenicity of Enterococcus gallinarum remains incompletely understood, its inf...
{"title":"Exploring the antimicrobial potential of 4,5,7-trihydroxyflavanone (THF) against vancomycin-resistant Enterococcus gallinarum infections: in vitro and in silico investigations","authors":"Zeeshan Hyderi, Hemavathy Nagarajan, S. Jaya Priya, Jeyaraman Jeyakanthan, Arumugam Veera Ravi","doi":"10.1080/07391102.2023.2291833","DOIUrl":"https://doi.org/10.1080/07391102.2023.2291833","url":null,"abstract":"Enterococcus gallinarum and other Enterococcus species commonly inhabit the human gastrointestinal tract. While the pathogenicity of Enterococcus gallinarum remains incompletely understood, its inf...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"28 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138693096","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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